5GNK

Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 42 21 2
Unit cell lengths	106.004, 106.004, 73.791
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.406 - 1.796
R-factor	0.1658
Rwork	0.165
R-free	0.17660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jit
RMSD bond length	0.024
RMSD bond angle	1.512
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall
Low resolution limit [Å]	47.423
High resolution limit [Å]	1.796
Number of reflections	39654
<I/σ(I)>	37.67
Completeness [%]	99.7
Redundancy	24.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	4.8M NaNO3 ,0.1M B-Tris propone pH 6.5, 5mM TCEP